2-[2-[chloranyl(phenyl)methyl]-5-fluoranyl-3-propan-2-ylsulfanyl-indol-2-yl]ethanoic acid

Systemtic Name: 2-[2-[chloranyl(phenyl)methyl]-5-fluoranyl-3-propan-2-ylsulfanyl-indol-2-yl]ethanoic acid Openeye Name: 2-[2-[chloro(phenyl)methyl]-5-fluoro-3-isopropylsulfanyl-indol-2-yl]acetic acid CAS Name: 2-[2-[chloro(phenyl)methyl]-5-fluoro-3-(propan-2-ylthio)-2-indolyl]acetic acid IUPAC Name: 2-[2-[chloro(phenyl)methyl]-5-fluoro-3-propan-2-ylsulfanylindol-2-yl]acetic acid Traditional Name: 2-[2-[chloro(phenyl)methyl]-5-fluoro-3-(isopropylthio)indol-2-yl]acetic acid Formula: C20H19ClFNO2S MolecularWeight: 391.886763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C2C=C(C=CC2=NC1(CC(=O)O)C(C3=CC=CC=C3)Cl)F

Isomeric SMILES

CC(C)SC1=C2C=C(C=CC2=NC1(CC(=O)O)C(C3=CC=CC=C3)Cl)F

InChI

InChI=1S/C20H19ClFNO2S/c1-12(2)26-19-15-10-14(22)8-9-16(15)23-20(19,11-17(24)25)18(21)13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3,(H,24,25)